Vitas-M small molecule compound
(2Z)-6-benzyl-2-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Catalog ID
STK822617
SMILES COc1ccc(cc1[N+](=O)[O-])c1nn(cc1/C=c/1\sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H20N6O5S MW 564.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H20N6O5S/c1-40-24-13-12-19(15-23(24)35(38)39)26-20(17-33(32-26)21-10-6-3-7-11-21)16-25-28(37)34-29(41-25)30-27(36)22(31-34)14-18-8-4-2-5-9-18/h2-13,15-17H,14H2,1H3/b25-16-InChIKey
HVYAFRFEFZSJTB-XYGWBWBKSA-NSynonyms
(2Z)6benzyl2((3(4methoxy3nitrophenyl)1phenyl1Hpyrazol4yl)methylidene)7H(13)thiazolo(32b)(124)triazine37(2H)dione
(2Z)6benzyl2((3(4methoxy3nitrophenyl)1phenylpyrazol4yl)methylidene)(13)thiazolo(32b)(124)triazine37dione
COC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=O)N4C(=NC(=O)C(=N4)CC5=CC=CC=C5)S3)C6=CC=CC=C6)(N+)(=O)(O)
COc1ccc(cc1(N+)(=O)(O))c1nn(cc1C=c1sc2n(c1=O)nc(c(=O)n2)Cc1ccccc1)c1ccccc1
InChI=1SC29H20N6O5Sc14024131219(1523(24)35(38)39)2620(1733(3226)21106371121)162528(37)3429(4125)3027(36)22(3134)14188425918h2131517H14H21H3b2516
MFCD03212234
ZINC000100829611
ZINC100829611
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